Materials Data on Na3NO2 by Materials Project
(Na3O2)2N2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional and consists of four ammonia molecules and one Na3O2 framework. In the Na3O2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.30 Å) and two longer (2.53 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a T-shaped geometry to three O2- atoms. There are one shorter (2.33 Å) and two longer (2.38 Å) Na–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Na1+ atoms. In the second O2- site, O2- is bonded to six Na1+ atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1691390
- Report Number(s):
- mp-1173683
- Country of Publication:
- United States
- Language:
- English
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